名称: Methyl (S)-1-((S)-6-(5-(6-(4-(2-((1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-imidazol-5-yl)phenyl)naphthalen-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-ylcarbamate tetrahydrochloride
SMILES:
COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc([C@H]6N[C@@H]7CC[C@H]6C7)[nH]5)cc4)ccc3c2)[nH]1)C(C)C.Cl.Cl.Cl.ClMolecular Processing
Molecular formula
C41H49Cl4N7O3
Molecular weight
829.7
Exact mass
827.2651
XLogP
9.22
TPSA
128.03
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
55
Rings
9
Aromatic rings
5
Saturated rings
4
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
5
Fraction Csp3
0.415
Molar refractivity
225.45
Supplementary Information
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